EGF-02824 Green

O=C(C1CC(C(F)(F)F)=NN1c1ccccc1)N1CCN(c2ccccn2)CC1
0.554
Platform Score
2D Structure
EGF-02824
C20H20F3N5O | Exact mass: 403.162
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
52
TPSA
403
MW
0
HBD
2.9
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight403.40 Da
TPSA52.0 A^2
HBD0
HBA5
SlogP2.93
Fsp30.350
Rotatable Bonds3
Rings4 (2 aromatic)
QED0.791
SA Score2.96 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H20F3N5O
Exact Mass403.162
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes